SCHEMBL5221907

SCHEMBL5221907

Cc1cc(C)cc(-c2ccc(C34CCCN(CC3)C4)cn2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.34
ALOX5AP P20292 3/20 0.34
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
KDM1A O60341 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
SSTR2 P30874 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL4469519 0.99 ALOX5AP (0.33) GRM5ALOX5APHCRTR1HCRTR2KDM1A
SCHEMBL5156396 0.89 KDM1A (0.43) ALOX5APHCRTR1HCRTR2KDM1A
Bromide SCHEMBL4466442 0.88 KDM1A (0.42) ALOX5APHCRTR1HCRTR2KDM1A
Bromide SCHEMBL4461513 0.87 CHRNA7 (0.39) ALOX5APKDM1ACCR1CCR5CCR8
SCHEMBL4463296 0.83 HSD11B1 (0.40) HCRTR1HCRTR2
SCHEMBL2678523 0.82 CHRNA7 (0.42) ALOX5APKDM1ACCR1CCR5CCR8
Bromide SCHEMBL4471147 0.82 HSD11B1 (0.39) HCRTR1HCRTR2
SCHEMBL5216499 0.82 ALOX5AP (0.38) ALOX5APHCRTR1HCRTR2
SCHEMBL1482856 0.81 ALOX5AP (0.42) ALOX5AP
SCHEMBL5218777 0.81 HPGDS (0.33)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465893-B1 DERIVATIVES OF 5-(PYRIDIN-3-YL)-1-AZABICYCLO (3.2.1) OCTANE, THE PREPARATION THEREOF AND THE APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-02-28 EP claimed